#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kdx n SER 2 N 0.00 0.59 -4.16 1.61 2.88 -1.26 -5.10 113.62 108.19 2kdx n SER 2 Ca 0.00 -2.01 -0.10 0.00 -1.33 0.00 0.00 58.87 55.43 2kdx n SER 2 Cb 0.00 -0.19 -0.10 0.00 -0.75 0.00 0.00 64.21 63.17 2kdx n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kdx s MET 3 N -0.62 1.02 0.00 -1.46 0.00 -1.26 -5.08 119.30 111.90 2kdx s MET 3 Ca 0.06 -1.48 0.14 0.00 0.00 0.00 0.00 55.69 54.41 2kdx s MET 3 Cb 0.05 0.26 -0.01 0.00 0.00 0.00 0.00 34.83 35.13 2kdx s MET 3 CO 0.01 -0.31 0.78 -2.39 0.00 0.00 0.00 175.02 173.11 2kdx n HIS 4 N -0.15 0.00 0.17 3.16 -0.00 -1.26 -4.72 115.22 112.42 2kdx n HIS 4 Ca -0.03 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.52 2kdx n HIS 4 Cb 0.64 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.54 2kdx n HIS 4 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 2kdx h GLU 5 N 1.53 -0.78 -0.00 -1.40 4.81 -2.03 -2.25 114.58 114.46 2kdx h GLU 5 Ca 0.00 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2kdx h GLU 5 Cb 0.48 0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.04 2kdx h GLU 5 CO 0.00 -0.52 -0.27 0.66 -0.73 0.00 0.00 179.01 178.15 2kdx n TYR 6 N -5.51 0.00 0.04 0.92 4.01 -1.26 -4.18 117.16 111.18 2kdx n TYR 6 Ca -0.09 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.52 2kdx n TYR 6 Cb 0.42 -0.24 -0.07 0.00 -0.31 0.00 0.00 39.34 39.14 2kdx n TYR 6 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2kdx h SER 7 N 0.44 -0.02 -0.16 7.72 0.87 -1.69 -1.32 113.55 119.40 2kdx h SER 7 Ca 0.00 -0.05 0.04 0.00 -1.23 0.00 0.00 61.79 60.56 2kdx h SER 7 Cb 0.46 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.39 2kdx h SER 7 CO 0.00 0.03 -0.12 0.58 -0.53 0.00 0.00 176.83 176.79 2kdx h VAL 8 N -0.08 0.66 0.88 2.23 2.07 -1.70 -2.06 116.25 118.25 2kdx h VAL 8 Ca -0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 2kdx h VAL 8 Cb 0.07 0.66 0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2kdx h VAL 8 CO 0.00 0.00 -0.42 0.58 0.02 0.00 0.00 177.57 177.75 2kdx h VAL 9 N -0.13 0.12 -0.87 2.57 2.07 -1.67 -0.06 116.25 118.28 2kdx h VAL 9 Ca 0.10 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.66 2kdx h VAL 9 Cb 0.27 0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.10 2kdx h VAL 9 CO -0.24 0.00 0.54 -1.28 0.02 0.00 0.00 177.57 176.61 2kdx h SER 10 N -1.21 0.83 -0.19 0.57 0.87 -1.34 -2.67 113.55 110.42 2kdx h SER 10 Ca -0.12 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.46 2kdx h SER 10 Cb 0.91 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 2kdx h SER 10 CO 0.20 0.52 0.12 -1.28 -0.53 0.00 0.00 176.83 175.85 2kdx h SER 11 N 0.96 0.22 -0.05 6.23 0.87 -1.02 -1.84 113.55 118.92 2kdx h SER 11 Ca 0.39 -0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.93 2kdx h SER 11 Cb 0.22 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 2kdx h SER 11 CO -0.19 0.19 -0.08 -0.07 -0.53 0.00 0.00 176.83 176.15 2kdx h LEU 12 N 0.23 -0.23 -0.31 2.23 3.38 -0.84 0.18 115.31 119.94 2kdx h LEU 12 Ca 0.07 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.14 2kdx h LEU 12 Cb 0.01 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 2kdx h LEU 12 CO -0.01 -0.11 -0.02 0.40 0.09 0.00 0.00 178.44 178.78 2kdx h ILE 13 N -0.11 0.75 -0.44 1.22 2.04 -1.39 -0.28 117.51 119.29 2kdx h ILE 13 Ca 0.05 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 2kdx h ILE 13 Cb 0.18 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 2kdx h ILE 13 CO -0.12 0.01 0.20 0.00 0.00 0.00 0.00 178.15 178.24 2kdx h ALA 14 N 1.28 0.57 -0.52 1.87 0.00 -1.13 -2.28 119.26 119.06 2kdx h ALA 14 Ca 0.15 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2kdx h ALA 14 Cb 0.21 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2kdx h ALA 14 CO -0.27 0.15 0.30 1.25 0.00 0.00 0.00 179.25 180.67 2kdx h LEU 15 N 0.57 0.46 -0.10 0.00 6.46 -0.64 -0.64 115.31 121.43 2kdx h LEU 15 Ca 0.15 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.94 2kdx h LEU 15 Cb 0.15 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 2kdx h LEU 15 CO -0.02 0.32 -0.00 0.00 -0.62 0.00 0.00 178.44 178.12 2kdx h GLU 17 N 0.03 0.72 -0.73 0.00 4.22 -1.14 -0.11 114.58 117.58 2kdx h GLU 17 Ca 0.04 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 2kdx h GLU 17 Cb 0.05 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 2kdx h GLU 17 CO -0.08 0.48 0.45 1.49 -2.18 0.00 0.00 179.01 179.17 2kdx h GLU 18 N 0.75 0.98 -0.37 1.92 4.57 -0.95 -1.26 114.58 120.21 2kdx h GLU 18 Ca 0.24 -0.08 -0.15 0.00 -1.18 0.00 0.00 59.36 58.20 2kdx h GLU 18 Cb 0.01 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.38 2kdx h GLU 18 CO -0.10 0.68 -0.35 0.45 -1.18 0.00 0.00 179.01 178.50 2kdx h HIS 19 N 0.99 1.03 -0.38 0.92 3.86 -1.22 -3.18 115.15 117.17 2kdx h HIS 19 Ca 0.26 -0.29 -0.09 0.00 -1.16 0.00 0.00 60.37 59.09 2kdx h HIS 19 Cb -0.06 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.17 2kdx h HIS 19 CO -0.01 1.09 -0.13 0.00 0.86 0.00 0.00 177.93 179.73 2kdx h ALA 20 N 0.87 1.06 -0.24 2.45 0.00 -0.44 0.04 119.26 123.00 2kdx h ALA 20 Ca 0.07 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 2kdx h ALA 20 Cb 0.93 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2kdx h ALA 20 CO 0.09 0.57 -0.24 1.57 0.00 0.00 0.00 179.25 181.24 2kdx h LYS 21 N 0.61 0.46 0.02 0.00 2.10 -1.36 0.99 116.57 119.40 2kdx h LYS 21 Ca 0.10 -0.17 -0.10 0.00 -2.00 0.00 0.00 60.65 58.48 2kdx h LYS 21 Cb 0.58 -0.03 0.01 0.00 -0.90 0.00 0.00 32.23 31.89 2kdx h LYS 21 CO 0.04 0.67 -0.41 -0.22 -2.00 0.00 0.00 179.45 177.53 2kdx h LYS 22 N 0.41 0.24 0.00 0.07 3.11 -1.37 -3.02 116.57 116.01 2kdx h LYS 22 Ca 0.06 -0.29 0.00 0.00 -2.81 0.00 0.00 60.65 57.61 2kdx h LYS 22 Cb 0.65 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.97 2kdx h LYS 22 CO 0.05 1.03 0.00 -1.71 -2.81 0.00 0.00 179.45 176.00 2kdx n ASN 23 N -4.38 0.00 -2.20 4.20 5.15 -0.06 -4.92 115.26 113.05 2kdx n ASN 23 Ca -0.11 -0.53 -0.17 0.00 -0.60 0.00 0.00 54.58 53.17 2kdx n ASN 23 Cb 0.60 -0.12 -0.02 0.00 -0.53 0.00 0.00 39.78 39.70 2kdx n ASN 23 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kdx n GLN 24 N -1.12 -1.79 0.07 1.20 6.02 -0.82 -4.90 117.38 116.03 2kdx n GLN 24 Ca 0.17 0.88 -0.17 0.00 -0.01 0.00 0.00 57.00 57.87 2kdx n GLN 24 Cb 0.15 -5.44 -0.09 0.00 1.02 0.00 0.00 30.24 25.88 2kdx n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kdx h ALA 25 N 0.85 0.20 0.00 -1.58 0.00 -1.12 -3.48 119.26 114.13 2kdx h ALA 25 Ca -0.40 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 53.78 2kdx h ALA 25 Cb 1.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2kdx h ALA 25 CO 0.49 0.77 0.00 0.72 0.00 0.00 0.00 179.25 181.23 2kdx n HIS 26 N -3.77 0.00 -3.58 0.00 8.25 -1.08 -4.85 115.22 110.19 2kdx n HIS 26 Ca -0.09 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.20 2kdx n HIS 26 Cb 0.90 -1.38 -0.07 0.00 1.12 0.00 0.00 29.99 30.56 2kdx n HIS 26 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 2kdx s LYS 27 N -1.04 0.93 0.02 -0.41 0.00 -1.26 -4.24 119.74 113.73 2kdx s LYS 27 Ca 0.00 0.50 -0.01 0.00 0.00 0.00 0.00 55.97 56.46 2kdx s LYS 27 Cb 0.00 0.44 -0.04 0.00 0.00 0.00 0.00 37.83 38.23 2kdx s LYS 27 CO 0.00 -0.23 0.16 0.42 0.00 0.00 0.00 175.35 175.71 2kdx s ILE 28 N -0.58 5.21 -0.08 3.79 -1.09 -0.84 -2.00 121.20 125.61 2kdx s ILE 28 Ca -0.07 -0.32 -0.05 0.00 -2.23 0.00 0.00 60.65 57.98 2kdx s ILE 28 Cb -0.02 -3.46 -0.02 0.00 -1.58 0.00 0.00 42.46 37.38 2kdx s ILE 28 CO 0.06 0.26 -0.10 -0.08 -1.23 0.00 0.00 174.94 173.85 2kdx h GLU 29 N 3.62 0.00 -2.80 2.79 4.81 -0.86 -3.30 114.58 118.84 2kdx h GLU 29 Ca -0.48 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.41 2kdx h GLU 29 Cb 1.18 0.00 -0.37 0.00 0.63 0.00 0.00 28.75 30.19 2kdx h GLU 29 CO 0.69 0.00 -0.65 1.03 -0.73 0.00 0.00 179.01 179.35 2kdx s ARG 30 N -1.70 0.12 0.37 1.92 0.52 -0.80 -2.05 118.95 117.33 2kdx s ARG 30 Ca -0.08 0.26 -0.26 0.00 -0.52 0.00 0.00 55.73 55.13 2kdx s ARG 30 Cb 0.01 -1.05 -0.09 0.00 0.52 0.00 0.00 34.95 34.35 2kdx s ARG 30 CO 0.12 -0.55 1.10 0.14 0.02 0.00 0.00 175.30 176.13 2kdx s VAL 31 N 2.28 3.48 -0.14 3.52 -7.23 -0.25 -0.70 120.40 121.37 2kdx s VAL 31 Ca 0.05 1.24 -0.00 0.00 -1.81 0.00 0.00 61.98 61.45 2kdx s VAL 31 Cb -0.15 -3.69 0.03 0.00 0.56 0.00 0.00 36.38 33.13 2kdx s VAL 31 CO -0.10 0.11 -0.08 -0.69 -0.31 0.00 0.00 175.10 174.04 2kdx s VAL 32 N -1.47 1.15 0.05 1.32 1.01 0.05 -1.29 120.40 121.22 2kdx s VAL 32 Ca 0.55 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 62.12 2kdx s VAL 32 Cb -0.27 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 2kdx s VAL 32 CO 0.34 0.29 -0.20 -0.69 0.00 0.00 0.00 175.10 174.84 2kdx s VAL 33 N 1.64 1.61 -0.07 2.92 1.01 0.02 -0.65 120.40 126.89 2kdx s VAL 33 Ca 0.03 -1.19 0.04 0.00 0.00 0.00 0.00 61.98 60.86 2kdx s VAL 33 Cb -0.14 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 2kdx s VAL 33 CO -0.08 0.17 -0.20 -0.83 0.00 0.00 0.00 175.10 174.16 2kdx s GLY 34 N -1.20 1.41 -0.04 4.51 0.00 0.22 -0.53 107.32 111.69 2kdx s GLY 34 Ca 0.07 -1.00 0.02 0.00 0.00 0.00 0.00 44.72 43.81 2kdx s GLY 34 CO 0.02 -0.58 -0.07 -0.42 0.00 0.00 0.00 173.10 172.05 2kdx s ILE 35 N -0.20 0.68 0.49 0.90 1.01 -0.35 -1.16 121.20 122.57 2kdx s ILE 35 Ca -0.01 -0.25 -0.22 0.00 0.00 0.00 0.00 60.65 60.16 2kdx s ILE 35 Cb -0.13 -0.65 -0.07 0.00 0.01 0.00 0.00 42.46 41.62 2kdx s ILE 35 CO 0.03 0.24 1.20 -0.83 0.00 0.00 0.00 174.94 175.58 2kdx s GLY 36 N 0.58 2.79 0.44 6.18 0.00 -1.26 -0.85 107.32 115.19 2kdx s GLY 36 Ca -0.09 1.00 0.30 0.00 0.00 0.00 0.00 44.72 45.94 2kdx s GLY 36 CO 0.01 1.46 1.91 1.05 0.00 0.00 0.00 173.10 177.52 2kdx h GLU 37 N 1.83 0.00 -0.02 2.90 4.11 -1.16 -1.99 114.58 120.26 2kdx h GLU 37 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2kdx h GLU 37 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2kdx h GLU 37 CO 0.59 0.00 0.00 0.54 0.07 0.00 0.00 179.01 180.21 2kdx n ARG 38 N -2.69 0.43 0.16 1.06 5.12 -1.26 -4.68 116.66 114.80 2kdx n ARG 38 Ca 0.00 -1.11 0.13 0.00 -1.93 0.00 0.00 57.85 54.94 2kdx n ARG 38 Cb 0.21 -1.19 0.52 0.00 -1.16 0.00 0.00 32.46 30.84 2kdx n ARG 38 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2kdx h SER 39 N 1.94 0.00 0.00 0.55 0.02 -1.65 -3.47 113.55 110.94 2kdx h SER 39 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kdx h SER 39 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 2kdx h SER 39 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 2kdx n ALA 40 N -1.83 0.00 -2.11 3.77 0.00 -1.26 -4.96 120.51 114.12 2kdx n ALA 40 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 2kdx n ALA 40 Cb 0.26 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 2kdx n ALA 40 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2kdx s MET 41 N -1.19 4.16 -0.80 0.00 -1.94 -1.26 -4.94 119.30 113.33 2kdx s MET 41 Ca 0.00 2.03 -0.25 0.00 -1.71 0.00 0.00 55.69 55.75 2kdx s MET 41 Cb 0.00 -3.94 -0.04 0.00 2.01 0.00 0.00 34.83 32.86 2kdx s MET 41 CO 0.00 -0.86 1.93 -0.51 -0.01 0.00 0.00 175.02 175.57 2kdx s ASP 42 N 3.14 5.16 0.39 3.03 1.01 -1.26 -4.87 116.67 123.26 2kdx s ASP 42 Ca 0.69 -0.30 0.15 0.00 0.71 0.00 0.00 52.55 53.81 2kdx s ASP 42 Cb -0.30 -2.55 1.02 0.00 1.01 0.00 0.00 42.92 42.10 2kdx s ASP 42 CO 0.26 -2.64 1.83 0.07 0.21 0.00 0.00 175.17 174.90 2kdx h LYS 43 N 12.67 0.47 -0.79 8.23 2.10 -1.99 -1.54 116.57 135.72 2kdx h LYS 43 Ca -0.03 -0.03 -0.04 0.00 -2.00 0.00 0.00 60.65 58.56 2kdx h LYS 43 Cb 1.06 -0.11 -0.04 0.00 -0.90 0.00 0.00 32.23 32.25 2kdx h LYS 43 CO 1.21 0.31 0.35 1.03 -2.00 0.00 0.00 179.45 180.35 2kdx h SER 44 N 0.48 1.05 -0.14 7.07 0.87 -2.00 -1.34 113.55 119.54 2kdx h SER 44 Ca 0.51 -0.14 -0.14 0.00 -1.23 0.00 0.00 61.79 60.79 2kdx h SER 44 Cb 1.16 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 2kdx h SER 44 CO -0.23 0.90 -0.45 -0.07 -0.53 0.00 0.00 176.83 176.46 2kdx h LEU 45 N 1.13 0.64 0.25 2.23 3.38 -1.71 -2.73 115.31 118.50 2kdx h LEU 45 Ca 0.27 -0.60 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 2kdx h LEU 45 Cb 0.15 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2kdx h LEU 45 CO -0.03 1.13 -0.20 0.15 0.09 0.00 0.00 178.44 179.58 2kdx h PHE 46 N 0.19 -0.52 -0.72 1.13 3.57 -1.23 0.08 116.94 119.43 2kdx h PHE 46 Ca -0.02 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.51 2kdx h PHE 46 Cb 1.07 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.96 2kdx h PHE 46 CO 0.10 -0.30 0.46 -0.24 -2.23 0.00 0.00 178.31 176.10 2kdx h VAL 47 N -0.46 1.12 -0.12 1.41 3.04 -1.38 -2.23 116.25 117.63 2kdx h VAL 47 Ca -0.01 -0.31 -0.02 0.00 -1.01 0.00 0.00 66.70 65.34 2kdx h VAL 47 Cb 0.41 0.13 -0.01 0.00 -2.01 0.00 0.00 31.29 29.81 2kdx h VAL 47 CO -0.02 0.17 -0.03 -1.28 -1.01 0.00 0.00 177.57 175.40 2kdx h SER 48 N 0.91 0.15 -0.09 3.17 0.87 -1.10 0.63 113.55 118.09 2kdx h SER 48 Ca 0.28 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.80 2kdx h SER 48 Cb -0.01 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2kdx h SER 48 CO -0.10 0.22 -0.06 0.00 -0.53 0.00 0.00 176.83 176.37 2kdx h ALA 49 N 1.80 0.13 -0.47 6.23 0.00 -0.65 -0.67 119.26 125.63 2kdx h ALA 49 Ca 0.04 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.73 2kdx h ALA 49 Cb 0.17 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2kdx h ALA 49 CO 0.01 -0.09 0.25 0.35 0.00 0.00 0.00 179.25 179.76 2kdx h PHE 50 N -0.19 0.46 -0.05 0.00 3.57 -0.81 -1.40 116.94 118.52 2kdx h PHE 50 Ca 0.02 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.55 2kdx h PHE 50 Cb 0.52 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2kdx h PHE 50 CO 0.07 0.24 -0.01 0.93 -2.23 0.00 0.00 178.31 177.31 2kdx h GLU 51 N 0.49 0.00 -0.12 1.11 4.39 -0.93 -2.71 114.58 116.81 2kdx h GLU 51 Ca 0.20 -0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.94 2kdx h GLU 51 Cb 0.09 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.70 2kdx h GLU 51 CO -0.13 0.00 -0.16 1.15 -1.16 0.00 0.00 179.01 178.71 2kdx h THR 52 N 0.00 0.58 0.00 1.13 2.02 -0.79 -2.57 112.91 113.29 2kdx h THR 52 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.21 2kdx h THR 52 Cb 0.04 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 2kdx h THR 52 CO -0.06 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.32 2kdx n PHE 53 N -5.30 0.00 -0.20 3.16 3.72 -0.56 -4.28 117.46 114.00 2kdx n PHE 53 Ca -0.03 0.00 0.26 0.00 -0.05 0.00 0.00 57.45 57.63 2kdx n PHE 53 Cb 0.22 0.00 0.67 0.00 -0.94 0.00 0.00 39.48 39.43 2kdx n PHE 53 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 2kdx h ARG 54 N 0.00 0.10 0.00 -1.08 -0.00 -1.12 -1.57 114.38 110.71 2kdx h ARG 54 Ca 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.98 59.97 2kdx h ARG 54 Cb 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 29.97 29.95 2kdx h ARG 54 CO 0.00 0.06 -0.00 0.93 -0.00 0.00 0.00 179.97 180.96 2kdx h GLU 55 N 0.10 0.00 0.00 0.08 5.08 -1.84 -2.74 114.58 115.25 2kdx h GLU 55 Ca 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 2kdx h GLU 55 Cb 1.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.84 2kdx h GLU 55 CO -0.05 0.00 0.00 1.49 -1.00 0.00 0.00 179.01 179.45 2kdx h GLU 56 N 0.00 0.00 -2.62 2.33 4.57 -1.64 -3.42 114.58 113.80 2kdx h GLU 56 Ca -0.00 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 2kdx h GLU 56 Cb 0.03 0.00 -0.28 0.00 -0.16 0.00 0.00 28.75 28.34 2kdx h GLU 56 CO 0.00 0.00 -0.37 -1.12 -1.18 0.00 0.00 179.01 176.34 2kdx s SER 57 N -5.08 -0.25 0.56 1.04 0.01 -1.03 -5.03 113.70 103.92 2kdx s SER 57 Ca 0.01 0.89 0.26 0.00 1.31 0.00 0.00 55.95 58.43 2kdx s SER 57 Cb 0.09 1.06 1.49 0.00 0.21 0.00 0.00 66.02 68.87 2kdx s SER 57 CO 0.46 -0.22 2.03 -0.07 0.41 0.00 0.00 173.24 175.85 2kdx h LEU 58 N 7.85 0.00 -1.43 2.44 4.07 -1.83 -1.11 115.31 125.30 2kdx h LEU 58 Ca -0.22 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.67 2kdx h LEU 58 Cb 1.13 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.86 2kdx h LEU 58 CO 0.18 0.00 -0.29 -0.37 -1.08 0.00 0.00 178.44 176.88 2kdx h VAL 59 N 0.00 1.09 0.00 1.22 -1.51 -1.91 -3.17 116.25 111.97 2kdx h VAL 59 Ca 0.17 -1.02 -0.10 0.00 -1.23 0.00 0.00 66.70 64.52 2kdx h VAL 59 Cb 0.77 1.57 -0.02 0.00 -2.13 0.00 0.00 31.29 31.48 2kdx h VAL 59 CO -0.00 0.28 -0.84 0.00 -1.23 0.00 0.00 177.57 175.78 2kdx n LYS 61 N -3.00 0.05 -0.00 0.00 5.02 -1.20 -1.49 118.16 117.53 2kdx n LYS 61 Ca -0.02 0.42 0.01 0.00 -2.02 0.00 0.00 58.31 56.69 2kdx n LYS 61 Cb 0.72 -1.62 0.01 0.00 -0.02 0.00 0.00 35.03 34.12 2kdx n LYS 61 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2kdx n ASP 62 N -1.71 1.29 -4.90 4.39 8.00 -1.26 -5.08 116.55 117.28 2kdx n ASP 62 Ca 0.01 -1.20 -0.29 0.00 0.71 0.00 0.00 54.79 54.02 2kdx n ASP 62 Cb 0.10 -0.01 0.08 0.00 -0.02 0.00 0.00 41.12 41.28 2kdx n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kdx s ALA 63 N -0.27 2.75 0.11 2.24 0.00 -0.56 -4.81 121.76 121.22 2kdx s ALA 63 Ca 0.02 -0.64 0.04 0.00 0.00 0.00 0.00 51.96 51.38 2kdx s ALA 63 Cb 0.02 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 2kdx s ALA 63 CO 0.02 -1.55 -0.10 0.42 0.00 0.00 0.00 175.76 174.55 2kdx s ILE 64 N -3.51 0.98 -0.31 0.00 -1.09 -0.87 -5.00 121.20 111.41 2kdx s ILE 64 Ca 0.61 -1.82 0.03 0.00 -2.23 0.00 0.00 60.65 57.24 2kdx s ILE 64 Cb -0.11 -1.57 0.08 0.00 -1.58 0.00 0.00 42.46 39.29 2kdx s ILE 64 CO 0.49 -0.66 -0.00 -0.22 -1.23 0.00 0.00 174.94 173.31 2kdx s LEU 65 N -2.77 4.00 -0.17 2.97 2.96 -1.26 -1.09 118.68 123.34 2kdx s LEU 65 Ca 0.10 -1.81 -0.24 0.00 -0.22 0.00 0.00 54.13 51.96 2kdx s LEU 65 Cb 0.00 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.16 2kdx s LEU 65 CO -0.01 -0.31 0.77 -0.62 -1.32 0.00 0.00 176.35 174.86 2kdx s ASP 66 N 1.06 6.89 -0.39 3.68 2.15 -0.41 -5.00 116.67 124.64 2kdx s ASP 66 Ca 0.04 1.09 0.01 0.00 0.43 0.00 0.00 52.55 54.12 2kdx s ASP 66 Cb -0.19 -2.42 0.11 0.00 -0.30 0.00 0.00 42.92 40.11 2kdx s ASP 66 CO -0.08 -0.34 0.14 -0.63 -0.17 0.00 0.00 175.17 174.09 2kdx s ILE 67 N 1.96 2.76 0.06 4.11 1.01 -1.26 -0.80 121.20 129.05 2kdx s ILE 67 Ca 0.36 -2.30 -0.31 0.00 0.00 0.00 0.00 60.65 58.40 2kdx s ILE 67 Cb -0.16 -2.96 -0.07 0.00 0.01 0.00 0.00 42.46 39.28 2kdx s ILE 67 CO 0.12 -0.66 1.40 -0.69 0.00 0.00 0.00 174.94 175.11 2kdx s VAL 68 N 0.90 3.50 -0.73 2.92 1.01 0.31 -4.93 120.40 123.39 2kdx s VAL 68 Ca 0.10 1.01 -0.27 0.00 0.00 0.00 0.00 61.98 62.82 2kdx s VAL 68 Cb -0.21 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.55 2kdx s VAL 68 CO -0.06 0.04 1.34 -0.62 0.00 0.00 0.00 175.10 175.80 2kdx s ASP 69 N 1.49 6.07 0.19 3.32 2.15 -1.26 -1.21 116.67 127.43 2kdx s ASP 69 Ca 0.64 -0.37 -0.26 0.00 0.43 0.00 0.00 52.55 52.99 2kdx s ASP 69 Cb -0.34 -2.56 -0.08 0.00 -0.30 0.00 0.00 42.92 39.64 2kdx s ASP 69 CO 0.29 -1.89 0.82 -1.61 -0.17 0.00 0.00 175.17 172.61 2kdx s GLU 70 N 5.86 4.62 0.71 4.34 2.02 -0.03 -4.90 118.70 131.33 2kdx s GLU 70 Ca 0.38 1.22 -0.11 0.00 0.02 0.00 0.00 54.97 56.49 2kdx s GLU 70 Cb -0.08 -3.22 0.02 0.00 0.10 0.00 0.00 34.13 30.95 2kdx s GLU 70 CO 0.16 0.54 1.07 0.15 0.02 0.00 0.00 175.26 177.19 2kdx s LYS 71 N -1.25 2.77 -0.11 1.61 -0.14 -1.26 -0.60 119.74 120.76 2kdx s LYS 71 Ca 0.38 1.01 -0.05 0.00 -1.36 0.00 0.00 55.97 55.94 2kdx s LYS 71 Cb -0.23 -1.97 -0.04 0.00 -1.68 0.00 0.00 37.83 33.91 2kdx s LYS 71 CO 0.27 -1.24 0.11 0.08 -0.76 0.00 0.00 175.35 173.81 2kdx s VAL 72 N -3.01 5.19 -0.01 3.17 1.01 -1.26 -3.92 120.40 121.57 2kdx s VAL 72 Ca 0.59 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.65 2kdx s VAL 72 Cb -0.15 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2kdx s VAL 72 CO 0.55 0.60 -0.03 -0.70 0.00 0.00 0.00 175.10 175.53 2kdx s GLU 73 N -1.03 0.31 -0.41 2.72 2.56 -0.39 -4.55 118.70 117.90 2kdx s GLU 73 Ca 0.15 -0.10 0.02 0.00 0.00 0.00 0.00 54.97 55.04 2kdx s GLU 73 Cb -0.12 -0.33 0.11 0.00 2.00 0.00 0.00 34.13 35.80 2kdx s GLU 73 CO 0.04 0.04 0.15 -0.51 -0.56 0.00 0.00 175.26 174.43 2kdx s LEU 74 N 0.11 4.82 0.51 2.70 1.43 0.39 -1.65 118.68 126.99 2kdx s LEU 74 Ca -0.01 -2.36 -0.18 0.00 -1.03 0.00 0.00 54.13 50.56 2kdx s LEU 74 Cb -0.04 -1.69 -0.08 0.00 0.03 0.00 0.00 46.19 44.42 2kdx s LEU 74 CO -0.00 -0.38 1.01 -0.70 0.23 0.00 0.00 176.35 176.50 2kdx s GLU 75 N 0.64 3.82 0.68 1.70 2.12 -0.65 -1.61 118.70 125.39 2kdx s GLU 75 Ca 0.12 1.13 -0.11 0.00 0.36 0.00 0.00 54.97 56.47 2kdx s GLU 75 Cb -0.21 -2.11 0.00 0.00 0.26 0.00 0.00 34.13 32.07 2kdx s GLU 75 CO -0.05 -0.39 1.07 0.00 -0.54 0.00 0.00 175.26 175.35 2kdx h LYS 77 N -0.55 -0.21 -2.21 0.00 1.79 -1.92 -3.42 116.57 110.04 2kdx h LYS 77 Ca -0.45 0.01 -0.56 0.00 -2.18 0.00 0.00 60.65 57.47 2kdx h LYS 77 Cb 1.24 0.05 -0.41 0.00 -1.58 0.00 0.00 32.23 31.52 2kdx h LYS 77 CO 0.63 -0.14 -0.78 -3.47 -1.08 0.00 0.00 179.45 174.61 2kdx n ASP 78 N -2.91 3.50 0.00 0.86 2.03 -1.26 -5.02 116.55 113.75 2kdx n ASP 78 Ca -0.03 -3.50 0.00 0.00 0.52 0.00 0.00 54.79 51.79 2kdx n ASP 78 Cb 0.09 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 2kdx n ASP 78 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kdx n SER 80 N 0.00 -1.03 -3.59 0.00 2.88 -1.26 -5.05 113.62 105.57 2kdx n SER 80 Ca 0.00 -3.27 -0.14 0.00 -1.33 0.00 0.00 58.87 54.14 2kdx n SER 80 Cb 0.00 0.71 -0.06 0.00 -0.75 0.00 0.00 64.21 64.11 2kdx n SER 80 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2kdx s HIS 81 N -0.76 -0.40 -0.14 0.66 5.04 -1.26 -5.09 115.29 113.34 2kdx s HIS 81 Ca 0.31 0.44 -0.14 0.00 -1.54 0.00 0.00 55.06 54.13 2kdx s HIS 81 Cb 0.28 0.32 0.04 0.00 0.04 0.00 0.00 32.58 33.26 2kdx s HIS 81 CO -0.10 -0.63 0.40 0.54 -2.34 0.00 0.00 174.74 172.61 2kdx s VAL 82 N -2.41 0.00 0.34 0.89 0.11 -1.26 -1.88 120.40 116.19 2kdx s VAL 82 Ca -0.06 -0.02 0.05 0.00 -2.93 0.00 0.00 61.98 59.02 2kdx s VAL 82 Cb -0.01 -0.56 -0.02 0.00 -1.53 0.00 0.00 36.38 34.26 2kdx s VAL 82 CO -0.01 -0.01 0.17 2.22 -3.33 0.00 0.00 175.10 174.13 2kdx n PHE 83 N 2.77 -0.15 -4.33 1.54 1.16 -0.64 -4.94 117.46 112.87 2kdx n PHE 83 Ca -0.14 -2.36 -0.32 0.00 -1.87 0.00 0.00 57.45 52.77 2kdx n PHE 83 Cb 0.57 0.08 -0.10 0.00 -1.61 0.00 0.00 39.48 38.43 2kdx n PHE 83 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 2kdx s LYS 84 N -3.31 2.56 -0.53 3.97 1.02 -1.26 -0.46 119.74 121.73 2kdx s LYS 84 Ca 0.24 -0.75 -0.27 0.00 0.02 0.00 0.00 55.97 55.21 2kdx s LYS 84 Cb 0.01 -2.53 -0.04 0.00 -0.52 0.00 0.00 37.83 34.75 2kdx s LYS 84 CO 0.17 0.59 2.08 -1.25 -0.92 0.00 0.00 175.35 176.02 2kdx s PRO 85 N -1.70 2.50 0.26 -1.68 0.04 -1.26 -4.57 135.00 128.59 2kdx s PRO 85 Ca 0.20 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.28 2kdx s PRO 85 Cb -0.11 -4.45 0.00 0.00 0.04 0.00 0.00 34.50 29.98 2kdx s PRO 85 CO 0.11 -2.85 0.00 -1.71 0.04 0.00 0.00 177.00 172.58 2kdx n ASN 86 N 13.75 -0.53 -4.71 6.66 2.85 -1.26 -5.13 115.26 126.89 2kdx n ASN 86 Ca 0.27 0.46 -0.30 0.00 -0.11 0.00 0.00 54.58 54.90 2kdx n ASN 86 Cb 0.52 0.68 0.14 0.00 1.24 0.00 0.00 39.78 42.36 2kdx n ASN 86 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kdx s ALA 87 N -2.00 1.57 0.15 5.20 0.00 -1.26 -5.04 121.76 120.37 2kdx s ALA 87 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.98 2kdx s ALA 87 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.90 2kdx s ALA 87 CO 0.00 -2.35 0.00 1.47 0.00 0.00 0.00 175.76 174.88 2kdx n LEU 88 N -3.89 0.26 0.24 0.00 -0.00 -1.26 -4.57 117.00 107.78 2kdx n LEU 88 Ca 0.07 0.25 0.11 0.00 -0.00 0.00 0.00 56.01 56.43 2kdx n LEU 88 Cb 0.55 0.07 0.61 0.00 -0.00 0.00 0.00 43.42 44.64 2kdx n LEU 88 CO 0.55 -0.70 0.90 -0.78 -0.00 0.00 0.00 177.39 177.36 2kdx h ASP 89 N 0.00 0.00 -0.39 1.45 3.58 -2.04 -2.57 116.42 116.45 2kdx h ASP 89 Ca 0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 2kdx h ASP 89 Cb 0.00 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 2kdx h ASP 89 CO 0.00 0.18 0.03 -1.22 -2.88 0.00 0.00 179.24 175.35 2kdx n TYR 90 N -3.64 1.36 1.02 0.28 4.01 -1.26 -4.81 117.16 114.13 2kdx n TYR 90 Ca -0.01 -0.95 0.06 0.00 -0.16 0.00 0.00 57.90 56.83 2kdx n TYR 90 Cb 0.31 -0.42 0.34 0.00 -0.31 0.00 0.00 39.34 39.26 2kdx n TYR 90 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kdx n GLY 91 N -0.31 -0.51 3.64 2.72 0.00 -0.97 -4.80 105.19 104.95 2kdx n GLY 91 Ca 0.26 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2kdx n GLY 91 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kdx s VAL 92 N -2.00 2.31 0.35 1.61 -7.23 -1.26 -4.72 120.40 109.47 2kdx s VAL 92 Ca 0.17 0.10 -0.28 0.00 -1.81 0.00 0.00 61.98 60.16 2kdx s VAL 92 Cb 0.08 -2.36 -0.10 0.00 0.56 0.00 0.00 36.38 34.56 2kdx s VAL 92 CO 0.13 -0.13 1.35 0.00 -0.31 0.00 0.00 175.10 176.14 2kdx h GLU 94 N 3.17 1.02 0.09 0.00 4.39 -1.93 -3.24 114.58 118.08 2kdx h GLU 94 Ca -0.50 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.05 2kdx h GLU 94 Cb 1.23 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 2kdx h GLU 94 CO 0.65 0.81 -0.04 0.87 -1.16 0.00 0.00 179.01 180.13 2kdx h LYS 95 N 1.01 -0.11 -5.16 2.33 1.57 -1.98 -3.47 116.57 110.75 2kdx h LYS 95 Ca 0.24 0.01 -0.67 0.00 -1.87 0.00 0.00 60.65 58.36 2kdx h LYS 95 Cb 0.14 0.03 -0.31 0.00 0.08 0.00 0.00 32.23 32.17 2kdx h LYS 95 CO -0.03 0.23 -0.81 0.00 -0.57 0.00 0.00 179.45 178.28 2kdx n HIS 97 N 4.17 3.22 -3.89 0.00 8.25 -1.26 -3.01 115.22 122.71 2kdx n HIS 97 Ca -0.19 -2.81 -0.09 0.00 -0.26 0.00 0.00 57.72 54.37 2kdx n HIS 97 Cb 0.51 -2.42 -0.08 0.00 1.12 0.00 0.00 29.99 29.12 2kdx n HIS 97 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2kdx s SER 98 N 3.41 0.16 -0.29 0.41 0.01 -1.26 -4.94 113.70 111.20 2kdx s SER 98 Ca 0.50 -0.66 0.11 0.00 1.31 0.00 0.00 55.95 57.21 2kdx s SER 98 Cb 0.14 0.31 0.77 0.00 0.21 0.00 0.00 66.02 67.46 2kdx s SER 98 CO -0.06 -0.69 1.78 0.29 0.41 0.00 0.00 173.24 174.97 2kdx n LYS 99 N 0.07 4.20 0.00 12.44 5.02 -1.26 -1.20 118.16 137.43 2kdx n LYS 99 Ca -0.15 -3.07 0.08 0.00 -2.02 0.00 0.00 58.31 53.14 2kdx n LYS 99 Cb 0.62 -2.24 0.42 0.00 -0.02 0.00 0.00 35.03 33.81 2kdx n LYS 99 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2kdx n ASN 100 N 0.18 0.00 -4.56 4.39 6.94 -1.26 -4.93 115.26 116.02 2kdx n ASN 100 Ca 0.35 -0.19 -0.36 0.00 -0.02 0.00 0.00 54.58 54.36 2kdx n ASN 100 Cb 1.31 -0.15 0.07 0.00 -2.36 0.00 0.00 39.78 38.65 2kdx n ASN 100 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 2kdx n VAL 101 N -1.15 2.63 -4.28 3.53 0.24 -1.26 -4.49 118.33 113.54 2kdx n VAL 101 Ca 0.09 -0.41 -0.19 0.00 -2.04 0.00 0.00 64.34 61.79 2kdx n VAL 101 Cb 0.09 -0.96 -0.11 0.00 -1.47 0.00 0.00 33.84 31.39 2kdx n VAL 101 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2kdx s ILE 102 N -1.78 1.49 -0.37 1.34 -0.00 0.14 -4.98 121.20 117.04 2kdx s ILE 102 Ca 0.71 -1.85 -0.29 0.00 -0.00 0.00 0.00 60.65 59.23 2kdx s ILE 102 Cb -0.37 -1.69 0.00 0.00 -0.00 0.00 0.00 42.46 40.40 2kdx s ILE 102 CO 0.52 -0.43 1.44 -0.63 -0.00 0.00 0.00 174.94 175.84 2kdx s ILE 103 N -2.29 3.89 -0.75 8.37 1.09 -1.26 -1.64 121.20 128.60 2kdx s ILE 103 Ca 0.13 0.94 0.24 0.00 -1.10 0.00 0.00 60.65 60.85 2kdx s ILE 103 Cb -0.04 -4.11 -0.06 0.00 -1.06 0.00 0.00 42.46 37.20 2kdx s ILE 103 CO 0.04 -0.64 1.18 1.07 -0.10 0.00 0.00 174.94 176.50 2kdx n THR 104 N 6.89 0.15 -3.65 2.92 5.66 -0.66 -4.83 114.28 120.76 2kdx n THR 104 Ca 0.17 -0.16 -0.06 0.00 -3.05 0.00 0.00 64.05 60.95 2kdx n THR 104 Cb 0.47 0.21 -0.07 0.00 -1.55 0.00 0.00 70.33 69.40 2kdx n THR 104 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 2kdx s GLN 105 N -3.12 0.57 0.00 1.09 2.00 -1.23 -4.95 119.66 114.02 2kdx s GLN 105 Ca 0.07 1.20 0.00 0.00 -2.00 0.00 0.00 55.36 54.63 2kdx s GLN 105 Cb 0.15 0.36 0.00 0.00 0.80 0.00 0.00 33.01 34.32 2kdx s GLN 105 CO 0.76 -0.18 0.00 0.41 -0.50 0.00 0.00 175.29 175.78 2kdx n GLY 106 N 4.79 0.97 0.10 2.59 0.00 -1.25 -1.26 105.19 111.13 2kdx n GLY 106 Ca -0.17 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 2kdx n GLY 106 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2kdx h ASN 107 N 0.00 0.06 -5.17 1.61 2.35 -1.92 -3.45 115.58 109.07 2kdx h ASN 107 Ca 0.00 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 2kdx h ASN 107 Cb 0.00 0.02 -0.09 0.00 0.05 0.00 0.00 38.32 38.29 2kdx h ASN 107 CO 0.00 0.06 -0.06 -1.83 -1.65 0.00 0.00 177.43 173.95 2kdx s GLU 108 N -6.18 1.46 0.52 0.81 -1.05 -1.26 -4.93 118.70 108.07 2kdx s GLU 108 Ca -0.13 -1.08 -0.21 0.00 -0.15 0.00 0.00 54.97 53.39 2kdx s GLU 108 Cb 0.09 0.49 -0.06 0.00 -0.44 0.00 0.00 34.13 34.21 2kdx s GLU 108 CO 0.69 -0.61 1.21 1.41 0.95 0.00 0.00 175.26 178.90 2kdx s MET 109 N -3.95 3.39 0.03 -4.83 -2.45 -1.26 -4.55 119.30 105.67 2kdx s MET 109 Ca 0.16 1.85 -0.03 0.00 -1.25 0.00 0.00 55.69 56.42 2kdx s MET 109 Cb -0.01 -2.21 -0.02 0.00 1.25 0.00 0.00 34.83 33.85 2kdx s MET 109 CO 0.04 -0.87 0.04 1.03 1.05 0.00 0.00 175.02 176.30 2kdx s ARG 110 N -2.97 0.46 -0.30 4.11 0.52 -0.31 -5.01 118.95 115.46 2kdx s ARG 110 Ca 0.70 -0.70 -0.29 0.00 -0.52 0.00 0.00 55.73 54.92 2kdx s ARG 110 Cb -0.31 0.17 0.01 0.00 0.52 0.00 0.00 34.95 35.34 2kdx s ARG 110 CO 0.36 -0.10 1.23 -1.17 0.02 0.00 0.00 175.30 175.63 2kdx s LEU 111 N -1.83 3.92 -0.02 2.53 0.20 -1.26 -0.61 118.68 121.60 2kdx s LEU 111 Ca -0.10 1.19 -0.08 0.00 0.69 0.00 0.00 54.13 55.83 2kdx s LEU 111 Cb -0.05 -3.54 -0.05 0.00 -0.43 0.00 0.00 46.19 42.13 2kdx s LEU 111 CO -0.03 -1.00 0.52 -0.07 -0.29 0.00 0.00 176.35 175.49 2kdx h LEU 112 N 10.54 -0.25 -8.02 -0.68 -0.00 -1.21 -3.48 115.31 112.21 2kdx h LEU 112 Ca -0.24 0.01 0.05 0.00 -0.00 0.00 0.00 57.88 57.69 2kdx h LEU 112 Cb 1.09 0.07 -0.05 0.00 -0.00 0.00 0.00 40.66 41.77 2kdx h LEU 112 CO 1.03 -0.02 0.21 -0.94 -0.00 0.00 0.00 178.44 178.72 2kdx s SER 113 N -3.88 -0.20 -0.16 -0.43 1.04 -1.07 -5.04 113.70 103.97 2kdx s SER 113 Ca -0.04 -0.71 -0.01 0.00 0.48 0.00 0.00 55.95 55.66 2kdx s SER 113 Cb 0.00 0.74 0.04 0.00 0.10 0.00 0.00 66.02 66.90 2kdx s SER 113 CO 0.13 -1.38 -0.04 -0.76 0.98 0.00 0.00 173.24 172.17 2kdx s LEU 114 N -2.95 1.48 -0.53 2.42 1.43 -1.26 -0.77 118.68 118.51 2kdx s LEU 114 Ca 0.13 -0.62 -0.28 0.00 -1.03 0.00 0.00 54.13 52.33 2kdx s LEU 114 Cb -0.05 -0.85 0.02 0.00 0.03 0.00 0.00 46.19 45.34 2kdx s LEU 114 CO 0.08 -0.19 1.25 -1.61 0.23 0.00 0.00 176.35 176.11 2kdx s GLU 115 N 1.68 3.54 0.52 1.70 0.41 0.12 -4.99 118.70 121.68 2kdx s GLU 115 Ca 0.01 0.46 -0.19 0.00 -0.41 0.00 0.00 54.97 54.84 2kdx s GLU 115 Cb -0.15 -4.01 -0.07 0.00 -1.78 0.00 0.00 34.13 28.12 2kdx s GLU 115 CO -0.08 -1.64 1.06 -1.64 -0.49 0.00 0.00 175.26 172.48 2kdx s MET 116 N 4.93 3.60 -1.37 1.61 -1.94 -1.26 -0.28 119.30 124.59 2kdx s MET 116 Ca 0.48 1.40 -0.16 0.00 -1.71 0.00 0.00 55.69 55.70 2kdx s MET 116 Cb -0.09 -2.06 0.06 0.00 2.01 0.00 0.00 34.83 34.75 2kdx s MET 116 CO 0.28 -0.60 1.94 1.28 -0.01 0.00 0.00 175.02 177.91 2kdx n LEU 117 N -1.23 5.77 -0.01 -0.03 4.77 -0.85 -4.43 117.00 121.00 2kdx n LEU 117 Ca 0.10 -4.03 -0.01 0.00 -0.03 0.00 0.00 56.01 52.04 2kdx n LEU 117 Cb 0.52 -1.71 -0.00 0.00 -2.33 0.00 0.00 43.42 39.90 2kdx n LEU 117 CO 0.41 0.57 0.03 0.00 -1.33 0.00 0.00 177.39 177.08 2kdx h ALA 118 N 6.88 -0.07 0.00 -1.18 0.00 -1.92 -3.46 119.26 119.52 2kdx h ALA 118 Ca 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2kdx h ALA 118 Cb 0.77 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2kdx h ALA 118 CO 1.64 -0.07 0.00 -1.91 0.00 0.00 0.00 179.25 178.91